4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

C14H24N4 — CID 114542208

IUPAC4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CCC(C)(C)C2)n1
InChIInChI=1S/C14H24N4/c1-5-15-13-16-9-10(2)12(18-13)17-11-6-7-14(3,4)8-11/h9,11H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeySQORBSSDWAATPU-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.21
Rot. Bonds4

About 4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 114542208) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID114542208
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CCC(C)(C)C2)n1
InChIInChI=1S/C14H24N4/c1-5-15-13-16-9-10(2)12(18-13)17-11-6-7-14(3,4)8-11/h9,11H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeySQORBSSDWAATPU-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 83039166
2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80853565
2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 80830256
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine
CID 103968638
4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80837383
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80837855
4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 114102554
3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine
CID 102759264
2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine
CID 80817562
2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine
CID 114543290

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 114542208) is 4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(NC2CCC(C)(C)C2)n1.
What is the InChIKey of 4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is SQORBSSDWAATPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-15-13-16-9-10(2)12(18-13)17-11-6-7-14(3,4)8-11/h9,11H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 114542208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).